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HCID 2139203Erstellt: 1. November 2026
(5E)-5-(3-Fluorobenzylidene)-2-(4-methylphenyl)[1,3]thiazolo[3,2-B][1,2,4]triazol-6(5H)-one
SALOR-INT L427675-1EA · Thiazolo[3,2-b][1,2,4]triazol-6(5H)-one, 5-[(3-fluorophenyl)methylene]-2-(4-methylphenyl)- · (5E)-5-(3-FLUOROBENZYLIDENE)-2-(4-METHYLPHENYL)[1,3]THIAZOLO[3,2-B][1,2,4]TRIAZOL-6(5H)-ONE
https://huagongshe.com/de/chemical/2139203
Identifikatoren & physikalische Daten
| CAS No. | 606955-25-3 |
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| Summenformel | C18H12FN3OS |
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| Durchschnittliche Molmasse | 337,4 g/mol |
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| Monoisotopische Masse | 337,06851135 g/mol |
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| SMILES | Cc1ccc(-c2nc3s/c(=C/c4cccc(F)c4)c(=O)n3n2)cc1 |
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| InChIKey | NBBHKCSTGYSDRQ-XNTDXEJSSA-N |
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| PubChem CID | 2139203 |
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| EC No. | 645-617-1 |
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Chemische & physikalische Eigenschaften
| XLogP | 4,8 |
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| Polarare Oberfläche (TPSA) | 73,1 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 5 |
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| Frei drehbare Bindungen | 2 |
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| Schwere Atome | 24 |
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| Formalladung | 0 |
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| Komplexität | 520 |
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| Siedepunkt | 537.4±60.0 °C(Predicted) |
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| Dichte | 1.39±0.1 g/cm3(Predicted) |
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| pKa (Säurekonstante) | -2.18±0.20(Predicted) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
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| Alarmwort | Warnung |
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| Gefahrenhinweise | Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H315 |
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![Molekülstruktur von (5E)-5-(3-Fluorobenzylidene)-2-(4-methylphenyl)[1,3]thiazolo[3,2-B][1,2,4]triazol-6(5H)-one](/img/chemical/2139203.png)